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http://elar.urfu.ru/handle/10995/111411
Название: | Investigation of the Degree of Local Structural Similarity between the Parent-liquid and Children-crystal States for a Model Soft Matter System |
Авторы: | Levashov, V. A. Ryltsev, R. E. Chtchelkatchev, N. M. |
Дата публикации: | 2022 |
Издатель: | Elsevier B.V. Elsevier BV |
Библиографическое описание: | Levashov V. A. Investigation of the Degree of Local Structural Similarity between the Parent-liquid and Children-crystal States for a Model Soft Matter System / V. A. Levashov, R. E. Ryltsev, N. M. Chtchelkatchev // Physica A: Statistical Mechanics and its Applications. — 2022. — Vol. 585. — 126387. |
Аннотация: | We investigate the degree of local structural similarity between the parent-liquid and children-crystal states for a model soft-matter system of particles interacting through the harmonic-repulsive pair potential. At different pressures, this simple system crystallizes into several significantly different crystal structures. Therefore, the model is well suited for addressing the question under consideration. In our studies, we carefully analyze the developments of the pair and triple correlation functions for the parent-liquid as the pressure increases. In particular, these considerations allow us to address the similarities in the orientational orderings of the corresponding liquid and solid phases. It is demonstrated that the similarities in the orientational ordering between the two states extend beyond the first and second neighbors. Currently, it is widely accepted that orientational ordering is important for understanding the behaviors of liquids, supercooled liquids, and the development of detailed theories of the crystallization process. Our results suggest that, up to a certain degree, it might be possible to predict the structures of the children-solids from studies of the parent-liquids. Our results raise anew a general question of how much insight into the properties of the liquid-state can be gained from drawing a parallel with the solid-state. © 2021 Elsevier B.V. |
Ключевые слова: | CRYSTALLIZATION CRYSTALS LIQUIDS ORIENTATIONAL ORDERING SOFT-MATTER STRUCTURE CRYSTAL STRUCTURE CRYSTALS LIQUIDS CRYSTAL STATE CRYSTALS STRUCTURES DIFFERENT PRESSURES ORIENTATIONAL ORDERS PAIR CORRELATION FUNCTIONS PAIR POTENTIAL SIMPLE SYSTEM SOFT MATTER STRUCTURAL SIMILARITY TRIPLE CORRELATION FUNCTIONS SUPERCOOLING |
URI: | http://elar.urfu.ru/handle/10995/111411 |
Условия доступа: | info:eu-repo/semantics/openAccess |
Идентификатор РИНЦ: | 47040003 |
Идентификатор SCOPUS: | 85114945498 |
Идентификатор WOS: | 000703932500008 |
Идентификатор PURE: | 23892459 |
ISSN: | 0378-4371 |
DOI: | 10.1016/j.physa.2021.126387 |
Сведения о поддержке: | This document is the results of the research project funded by the Russian Science Foundation (RNF-grant 18-12-00438).This work was supported by the Russian Science Foundation (grant 18-12-00438). We gratefully acknowledge access to the following computational resources: Supercomputing Center of Novosibirsk State University (http://nusc.nsu.ru), the federal collective usage center "Complex for Simulation and Data Processing for Mega-science Facilities" at NRC "Kurchatov Institute" (http://ckp.nrcki.ru/), supercomputers at Joint Supercomputer Center of Russian Academy of Sciences (http://www.jscc.ru), and ?Uran? supercomputer of IMM UB RAS (http://parallel.uran.ru). |
Карточка проекта РНФ: | 18-12-00438 |
Располагается в коллекциях: | Научные публикации ученых УрФУ, проиндексированные в SCOPUS и WoS CC |
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2-s2.0-85114945498.pdf | 10,33 MB | Adobe PDF | Просмотреть/Открыть |
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